Namrata Jaykhedkar
2PUBLICATIONS
3CO-AUTHORS
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Publications (2)
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|Jan 05, 2024
Investigating the role of dispersion corrections and anharmonic effects on the phase transition in SrZrS3: A systematic analysis from AIMD free energy calculations.Namrata Jaykhedkar, Roman Bystrický, Milan Sýkora
|Jul 26, 2023
How the Temperature and Composition Govern the Structure and Band Gap of Zr-Based Chalcogenide Perovskites: Insights from ML Accelerated AIMD.Namrata Jaykhedkar, Roman Bystrický, Milan Sýkora
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